(phenylmethyl) 3-(1-ethanoylindol-3-yl)-2-(oxidanylamino)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (phenylmethyl) 3-(1-ethanoylindol-3-yl)-2-(oxidanylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: benzyl 3-(1-acetylindol-3-yl)-3-benzylsulfanyl-2-(hydroxyamino)propanoate CAS Name: 3-(1-acetyl-3-indolyl)-2-(hydroxyamino)-3-(phenylmethylthio)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1-acetylindol-3-yl)-3-benzylsulfanyl-2-(hydroxyamino)propanoate Traditional Name: 3-(1-acetylindol-3-yl)-3-(benzylthio)-2-(hydroxyamino)propionic acid benzyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C(C(C(=O)OCC3=CC=CC=C3)NO)SCC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)C(C(C(=O)OCC3=CC=CC=C3)NO)SCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4S/c1-19(30)29-16-23(22-14-8-9-15-24(22)29)26(34-18-21-12-6-3-7-13-21)25(28-32)27(31)33-17-20-10-4-2-5-11-20/h2-16,25-26,28,32H,17-18H2,1H3